You can probably do this with Hamiltonian REMD with pmemd only. sander
uses the same functionality to power both TI and REMD, so they can't be
used together. pmemd does TI completely differently, and it should be
compatible with REMD.
HTH,
Jason
On Thu, Jan 11, 2018 at 6:45 PM, Roma Mukhopadhyay <roma1988.nmsu.edu>
wrote:
>
>
> Hi All,
>
>
> I was wondering if there is a way to do Replica exchange along with
> thermodynamic integration(RETI) method in AMBER, and if anyone could guide
> me to a helpful resource from which I can learn how to use the combined
> method in AMBER platform for free energy calculations.
>
>
> Thanks
>
> Roma
>
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>
--
Jason M. Swails
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Received on Thu Jan 18 2018 - 11:00:03 PST
